Home Nitriles 4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzonitrile

4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzonitrile

CAS No.:
728894-87-9
Catalog Number:
AG00ICBV
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$138
- +
5g
97%
In Stock USA
United States
$500
- +
Product Description
Catalog Number:
AG00ICBV
Chemical Name:
4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzonitrile
CAS Number:
728894-87-9
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
MDL Number:
MFCD28369607
IUPAC Name:
4-(3-methyl-1,2,4-oxadiazol-5-yl)benzonitrile
InChI:
InChI=1S/C10H7N3O/c1-7-12-10(14-13-7)9-4-2-8(6-11)3-5-9/h2-5H,1H3
InChI Key:
KEANHZPGKNKJFT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1onc(n1)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties